Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7931084 | 0.83 | NQO1 (0.39) | NQO1MMP2MMP3MMP9MMP14 | |
| SCHEMBL3589633 | 0.82 | NQO1 (0.50) | NQO1MMP2MMP3MMP9MMP14 | |
| SCHEMBL7934075 | 0.82 | MAPT (0.44) | ENPP2MAPTLTA4H | |
| SCHEMBL7922042 | 0.80 | L3MBTL1 (0.40) | ENPP2MAPTLTA4H | |
| SCHEMBL30956024 | 0.80 | L3MBTL1 (0.44) | ENPP2MAPTLTA4H | |
| SCHEMBL3658523 | 0.79 | ENPP2 (0.59) | ENPP2CA1CA2TSHR | |
| SCHEMBL4529542 | 0.78 | NQO1 (0.64) | NQO1MAPTTSHRLTA4H | |
| SCHEMBL4663332 | 0.77 | CA1 (0.38) | ENPP2CA1CA2 | |
| SCHEMBL3800806 | 0.76 | CA1 (0.38) | ENPP2CA1CA2TSHR | |
| SCHEMBL1923910 | 0.76 | LTA4H (0.54) | LTA4H |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106232585-B | Triaizine compounds and its medicinal usage | 日本烟草产业株式会社 | 2019-04-02 | — | — | CN | disclosed |
| CN-106232585-A | Triaizine compounds and its medicinal usage | 日本烟草产业株式会社 | 2016-12-14 | — | — | CN | disclosed |
| CN-101863913-B | Preparation method of fluorinated aryl-containing boron compound | SHANGHAI RES INST CHEMICAL IND | 2013-02-27 | — | — | CN | disclosed |
| CN-101863913-A | Preparation method of fluorinated aryl-containing boron compound | SHANGHAI RES INST CHEMICAL IND | 2010-10-20 | — | — | CN | disclosed |
| EP-1140896-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | Takeda Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| US-6235771-B1 | AIDS THERPAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| WO-2000037455-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-06-29 | — | — | WO | disclosed |